SCHEMBL4497544

SCHEMBL4497544

Cc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.64
HTT P42858 3/20 0.60
GALR3 O60755 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
P2RX3 P56373 1/20 0.56
OPRK1 P41145 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13958577 0.82 P2RX7 (0.57) P2RX7P2RX3
SCHEMBL13958572 0.81 P2RX7 (0.56) P2RX7P2RX3
SCHEMBL13958609 0.81 P2RX7 (0.58) P2RX7P2RX3
SCHEMBL13958619 0.81 P2RX7 (0.58) P2RX7P2RX3MEN1KMT2A
SCHEMBL13958587 0.81 P2RX7 (0.57) P2RX7SMN1; SMN2P2RX3
SCHEMBL13958566 0.81 P2RX7 (0.61) P2RX7P2RX3MEN1KMT2A
SCHEMBL13958573 0.81 P2RX7 (0.60) P2RX7P2RX3
SCHEMBL13958590 0.81 P2RX7 (0.60) P2RX7P2RX3MEN1KMT2A
SCHEMBL13958563 0.80 P2RX7 (0.59) P2RX7P2RX3
SCHEMBL13958567 0.80 P2RX7 (0.54) P2RX7P2RX3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018133-A1 Novel Adamantane Derivatives FORD RHONAN 2009-01-15 US disclosed
US-20050090524-A1 Novel adamantane derivatives ASTRAZENECA AB (SE) 2005-04-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090018133-A1 Novel Adamantane Derivatives ADRA1A, ADORA1, ADRA1D P2RX7 554/4885HTT 2174/4885GALR3 765/4885
US-20050090524-A1 Novel adamantane derivatives ADRA1A, ADORA1, ADRA1D P2RX7 732/4885HTT 2335/4885GALR3 1323/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.